Theoretical study on the atmospheric oxidation reaction of 2-furanaldehyde initiated by NO3 radicals
Sign Up to like & getrecommendations! Published in 2019 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2019.03.009
Abstract: Abstract Furanaldehydes have raised environmental attention due to their large emission and high potential to generate secondary organic aerosol. In this study, the removal process of 2-furanaldehyde initiated by NO3 in gas phase was investigated… read more here.
Keywords: theoretical study; furanaldehyde initiated; initiated no3; study atmospheric ... See more keywords
Prediction of •OH-Initiated and •NO3-Initiated Transformation Products of Polycyclic Aromatic Hydrocarbons by Electronic Structure Approaches
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.1c06447
Abstract: The abiotic reaction products of polycyclic aromatic hydrocarbons (PAHs) with hydroxyl radicals (•OH) and nitrate radicals (•NO3) are nitro-, oxygen-, and hydroxyl-containing PAHs (NPAHs, OPAHs, and OHPAHs). Four methods of the highest occupied molecular orbital… read more here.
Keywords: aromatic hydrocarbons; transformation products; initiated no3; polycyclic aromatic ... See more keywords